SCHEMBL3330655

SCHEMBL3330655

COC(=O)c1ccc(-c2ccnn2C)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
SCN9A Q15858 1/20 0.41
CASP3 P42574 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPK10 P53779 2/20 0.40
USP2 O75604 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
ALDH1A1 P00352 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3331818 0.85 ALDH1A1 (0.41) HTR2AHTR2CPOLBALDH1A1MAPT
SCHEMBL18420443 0.80 AKT1 (0.50) HTR2AHTR2CSCN9ACASP3GAA
SCHEMBL17110650 0.78 NOTUM (0.52) NOTUMHTR2AHTR2CSCN9ACASP3
SCHEMBL16495109 0.77 TTK (0.48) HTR2AHTR2CSCN9AGAAALDH1A1
SCHEMBL18952426 0.77 AKT1 (0.43) HTR2AHTR2CSCN9ACASP3ALDH1A1
SCHEMBL8808172 0.77 CD274 (0.52) HSD17B10CA12CA1CA2CA7
SCHEMBL6162351 0.75 DGAT2 (0.49) CA12CA1CA2CA9JMJD6
SCHEMBL16862868 0.74 KDM4E (0.65) NOTUMGAATSHRPOLBCA12
SCHEMBL18420354 0.74 HTR2A (0.43) HTR2AHTR2CSCN9ATSHRHSD17B10
SCHEMBL16277940 0.74 CYP46A1 (0.58) HTR2AHTR2CSCN9AGAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 NOTUM 2307/4885HTR2A 4318/4885HTR2C 4134/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.